L-thyroxine phenolic β-D-glucuronide
Chemical Formula:
C21H18NO10I4
Molecular Weight:
951.992 Daltons
Monoisotopic Mass:
953.7265928682 Daltons
SMILES:
C(=O)([O-])C([N+])CC1(=CC(I)=C(C(I)=C1)OC3(C=C(I)C(OC2(OC(C(=O)[O-])C(O)C(O)C(O)2))=C(I)C=3))
InChI:
1S/C21H19I4NO10/c22-8-1-6(3-12(26)19(30)31)2-9(23)16(8)34-7-4-10(24)17(11(25)5-7)35-21-15(29)13(27)14(28)18(36-21)20(32)33/h1-2,4-5,12-15,18,21,27-29H,3,26H2,(H,30,31)(H,32,33)/p-1/t12-,13-,14-,15+,18-,21?/m0/s1
InChIKey:
Synonyms
- L-thyroxine phenolic glucuronide
- thyroxine glucuronide
- beta-D-glucopyranosiduronic acid, 4-(4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy)-2,6-diiodophenyl, (S)-
- T4G
Databases
MetaCyc:
CPD-11398
PubChem (CID):
44237176
Seed:
cpd22929
HMDB:
HMDB10326
MetaNetX:
MNXM18963